Information card for entry 4108918

Structure parameters

• Formula: C42.75 H70.13 Lu N13.88 O12.75
• Calculated formula: C42.75 H60 Lu N13.875 O12.75
• Title of publication: Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle
• Authors of publication: Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17761 - 17773
• a: 14.982 ± 0.004 Å
• b: 14.982 ± 0.004 Å
• c: 38.92 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7566 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No